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BioLiP

PDB CCD ID: 2KA
Number of entries in BioLiP: 2
Chemical formula: C7 H6 N4 O3
InChI: InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
InChIKey: XIUIRSLBMMTDSK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=Nc2[nH]cc(C(O)=O)c2C(=O)N1
ACDLabs 12.01O=C(O)c1cnc2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.7.6c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O
Name:2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
ZINC: ZINC000045800802
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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